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Information card for entry 8106599
Preview
| Coordinates | 8106599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 Cl2 F N O3 |
|---|---|
| Calculated formula | C15 H14 Cl2 F N O3 |
| Title of publication | Crystal structure of ethyl (E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl) acrylate, C15H14Cl2FNO3 |
| Authors of publication | Liao, Han-Xiao; Ying, Bei-Bei; Shen, Chao; Zhang, Peng-Fei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 549 - 551 |
| a | 8.5995 ± 0.0008 Å |
| b | 9.9579 ± 0.0009 Å |
| c | 10.1418 ± 0.001 Å |
| α | 113.49 ± 0.001° |
| β | 95.873 ± 0.001° |
| γ | 96.161 ± 0.001° |
| Cell volume | 781.81 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0344 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280632 (current) | 2023-01-27 | cif/ Adding structures of 8106599 via cif-deposit CGI script. |
8106599.cif |
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Users of the data should acknowledge the original authors of the
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